In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2009 | 32 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.93 | 6.01 | -21.01 | 2 | 9 | 0 | 102 | 441.532 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 8.16 | -57.65 | 3 | 9 | 1 | 103 | 442.54 | 6 | ↓ |